[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C19H15N3O6/c1-11(17(23)20-13-6-8-14(9-7-13)22(26)27)28-19(25)16-10-12-4-2-3-5-15(12)18(24)21-16/h2-11H,1H3,(H,20,23)(H,21,24)/t11-/m0/s1